(2S)-1-[4-(2-methoxyphenyl)piperazin-1-yl]-2-(1,2,4-triazol-1-yl)propan-1-one

C16H21N5O2 — CID 36991296

IUPAC(2S)-1-[4-(2-methoxyphenyl)piperazin-1-yl]-2-(1,2,4-triazol-1-yl)propan-1-one
SMILESCOc1ccccc1N1CCN(C(=O)[C@H](C)n2cncn2)CC1
InChIInChI=1S/C16H21N5O2/c1-13(21-12-17-11-18-21)16(22)20-9-7-19(8-10-20)14-5-3-4-6-15(14)23-2/h3-6,11-13H,7-10H2,1-2H3/t13-/m0/s1
InChIKeyUJADSUGFXLYWAF-ZDUSSCGKSA-N
MW315.38 g/mol
LogP1.20
Rot. Bonds4

About (2S)-1-[4-(2-methoxyphenyl)piperazin-1-yl]-2-(1,2,4-triazol-1-yl)propan-1-one

(2S)-1-[4-(2-methoxyphenyl)piperazin-1-yl]-2-(1,2,4-triazol-1-yl)propan-1-one (PubChem CID 36991296) has the molecular formula C16H21N5O2 and a molecular weight of 315.38 g/mol. Its IUPAC name is (2S)-1-[4-(2-methoxyphenyl)piperazin-1-yl]-2-(1,2,4-triazol-1-yl)propan-1-one.

Molecular Properties

Compound Name(2S)-1-[4-(2-methoxyphenyl)piperazin-1-yl]-2-(1,2,4-triazol-1-yl)propan-1-one
PubChem CID36991296
Molecular FormulaC16H21N5O2
Molecular Weight315.38 g/mol
Exact Mass315.17
IUPAC Name(2S)-1-[4-(2-methoxyphenyl)piperazin-1-yl]-2-(1,2,4-triazol-1-yl)propan-1-one
SMILESCOc1ccccc1N1CCN(C(=O)[C@H](C)n2cncn2)CC1
InChIInChI=1S/C16H21N5O2/c1-13(21-12-17-11-18-21)16(22)20-9-7-19(8-10-20)14-5-3-4-6-15(14)23-2/h3-6,11-13H,7-10H2,1-2H3/t13-/m0/s1
InChIKeyUJADSUGFXLYWAF-ZDUSSCGKSA-N
XLogP1.20
TPSA63.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.38
LogP ≤ 51.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (2S)-1-[4-(2-methoxyphenyl)piperazin-1-yl]-2-(1,2,4-triazol-1-yl)propan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[4-[(2S)-2-(1,2,4-triazol-1-yl)propanoyl]-1,4-diazepan-1-yl]benzonitrile
CID 94128284
(2R)-2-amino-1-[4-(2-methoxyphenyl)piperazin-1-yl]propan-1-one
CID 15549623
methyl 4-[4-[2-(1,2,4-triazol-1-yl)propanoyl]piperazin-1-yl]benzoate
CID 70719736
3-amino-1-[4-(2-methoxyphenyl)piperazin-1-yl]-2-methylbutan-1-one;dihydrochloride
CID 120502403
(2R)-1-[4-[(2-methoxy-5-methylphenyl)methyl]piperazin-1-yl]-2-(1,2,4-triazol-1-yl)propan-1-one
CID 95126734
(2S)-1-[4-(2-methoxyphenyl)piperazin-1-yl]-2-pyrazol-1-ylbutan-1-one
CID 97154552
(2S)-2-amino-1-[4-(2-methoxyphenyl)piperazin-1-yl]-4-methylpentan-1-one
CID 22691105
2-[(2S)-1-[4-(2-methoxyphenyl)piperazin-1-yl]-1-oxopropan-2-yl]-3H-isoindol-1-one
CID 92705446
(2S)-1-(10-methoxy-2,3,4,6-tetrahydro-1,5-benzoxazocin-5-yl)-2-(1,2,4-triazol-1-yl)propan-1-one
CID 99943592
(2R)-1-(4-acetyl-1,4-diazepan-1-yl)-2-(1,2,4-triazol-1-yl)propan-1-one
CID 94044390
(2S)-2-[4-(2-methoxyphenyl)piperazin-1-yl]-1-(4-prop-2-enylpiperazin-1-yl)propan-1-one
CID 92987474
[4-(2-methoxyphenyl)piperazin-1-yl]-[1-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]piperidin-4-yl]methanone
CID 90600269

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[4-(2-methoxyphenyl)piperazin-1-yl]-2-(1,2,4-triazol-1-yl)propan-1-one?
The IUPAC name of (2S)-1-[4-(2-methoxyphenyl)piperazin-1-yl]-2-(1,2,4-triazol-1-yl)propan-1-one (CID 36991296) is (2S)-1-[4-(2-methoxyphenyl)piperazin-1-yl]-2-(1,2,4-triazol-1-yl)propan-1-one.
What is the SMILES notation for (2S)-1-[4-(2-methoxyphenyl)piperazin-1-yl]-2-(1,2,4-triazol-1-yl)propan-1-one?
The canonical SMILES for (2S)-1-[4-(2-methoxyphenyl)piperazin-1-yl]-2-(1,2,4-triazol-1-yl)propan-1-one is COc1ccccc1N1CCN(C(=O)[C@H](C)n2cncn2)CC1.
What is the InChIKey of (2S)-1-[4-(2-methoxyphenyl)piperazin-1-yl]-2-(1,2,4-triazol-1-yl)propan-1-one?
The InChIKey is UJADSUGFXLYWAF-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H21N5O2/c1-13(21-12-17-11-18-21)16(22)20-9-7-19(8-10-20)14-5-3-4-6-15(14)23-2/h3-6,11-13H,7-10H2,1-2H3/t13-/m0/s1.
What are the key properties of (2S)-1-[4-(2-methoxyphenyl)piperazin-1-yl]-2-(1,2,4-triazol-1-yl)propan-1-one?
(2S)-1-[4-(2-methoxyphenyl)piperazin-1-yl]-2-(1,2,4-triazol-1-yl)propan-1-one has a molecular weight of 315.38 g/mol, XLogP of 1.20, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[4-(2-methoxyphenyl)piperazin-1-yl]-2-(1,2,4-triazol-1-yl)propan-1-one is sourced from PubChem (CID 36991296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).